nonyl 2-(prop-2-enoxycarbonylamino)pentanoate

C18H33NO4 — CID 91722486

IUPACnonyl 2-(prop-2-enoxycarbonylamino)pentanoate
SMILESC=CCOC(=O)NC(CCC)C(=O)OCCCCCCCCC
InChIInChI=1S/C18H33NO4/c1-4-7-8-9-10-11-12-15-22-17(20)16(13-5-2)19-18(21)23-14-6-3/h6,16H,3-5,7-15H2,1-2H3,(H,19,21)
InChIKeyRWWDVQPZIUUOQS-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.36
Rot. Bonds14

About nonyl 2-(prop-2-enoxycarbonylamino)pentanoate

nonyl 2-(prop-2-enoxycarbonylamino)pentanoate (PubChem CID 91722486) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is nonyl 2-(prop-2-enoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namenonyl 2-(prop-2-enoxycarbonylamino)pentanoate
PubChem CID91722486
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Namenonyl 2-(prop-2-enoxycarbonylamino)pentanoate
SMILESC=CCOC(=O)NC(CCC)C(=O)OCCCCCCCCC
InChIInChI=1S/C18H33NO4/c1-4-7-8-9-10-11-12-15-22-17(20)16(13-5-2)19-18(21)23-14-6-3/h6,16H,3-5,7-15H2,1-2H3,(H,19,21)
InChIKeyRWWDVQPZIUUOQS-UHFFFAOYSA-N
XLogP4.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

heptadecyl 2-(prop-2-enoxycarbonylamino)hexanoate
CID 91725598
dodecyl 2-(prop-2-enoxycarbonylamino)octanoate
CID 91732520
hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate
CID 91721396
tetradecyl 2-(ethoxycarbonylamino)pentanoate
CID 91718836
pentyl 2-(hexoxycarbonylamino)pent-4-enoate
CID 91691970
hexadecyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726559
pentyl 2-(octoxycarbonylamino)pent-4-enoate
CID 91736081
heptyl 2-(2-methoxyethoxycarbonylamino)pentanoate
CID 91726565
butyl 4-methylsulfanyl-2-(prop-2-enoxycarbonylamino)butanoate
CID 6420956
prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[[5-(octoxycarbonylamino)-6-oxo-6-prop-2-enoxyhexyl]carbamoyloxy]butoxycarbonylamino]hexanoate
CID 58225453
pentadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725441
hexyl 2-(2-chloroethoxycarbonylamino)pentanoate
CID 91727224

Frequently Asked Questions

What is the IUPAC name of nonyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The IUPAC name of nonyl 2-(prop-2-enoxycarbonylamino)pentanoate (CID 91722486) is nonyl 2-(prop-2-enoxycarbonylamino)pentanoate.
What is the SMILES notation for nonyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The canonical SMILES for nonyl 2-(prop-2-enoxycarbonylamino)pentanoate is C=CCOC(=O)NC(CCC)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The InChIKey is RWWDVQPZIUUOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-4-7-8-9-10-11-12-15-22-17(20)16(13-5-2)19-18(21)23-14-6-3/h6,16H,3-5,7-15H2,1-2H3,(H,19,21).
What are the key properties of nonyl 2-(prop-2-enoxycarbonylamino)pentanoate?
nonyl 2-(prop-2-enoxycarbonylamino)pentanoate has a molecular weight of 327.47 g/mol, XLogP of 4.36, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-(prop-2-enoxycarbonylamino)pentanoate is sourced from PubChem (CID 91722486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).